Cas no 26347-18-2 (3(2H)-Isoxazolone, 2-methyl-)
3(2H)-Isoxazolone, 2-methyl- structure
Product Name:3(2H)-Isoxazolone, 2-methyl-
CAS No:26347-18-2
MF:C4H5NO2
MW:99.0880010128021
CID:1426798
PubChem ID:13420638
Update Time:2025-04-20
3(2H)-Isoxazolone, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isoxazolone, 2-methyl-
- 2-methyl-1,2-oxazol-3-one
- 2-methylisoxazol-3-one
- 26347-18-2
- 2-Methyl-1,2-oxazol-3(2H)-one
- DTXSID40540273
- 2-Methylisoxazol-3(2H)-one
-
- Inchi： 1S/C4H5NO2/c1-5-4(6)2-3-7-5/h2-3H,1H3
- InChI Key： JPENACUQEHMSRR-UHFFFAOYSA-N
- SMILES： O1C=CC(N1C)=O
Computed Properties
- Exact Mass: 99.03205
- Monoisotopic Mass: 99.032028402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
3(2H)-Isoxazolone, 2-methyl- Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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